#
#Single point
#
! wb97x-d3bj def2-TZVPPD def2/J defgrid3 verytightscf
%pal nprocs 8 end
%maxcore 4000
%cpcm smd true
smdsolvent "dichloromethane"
end
%scf guess moread
moinp "guesspsminG14_IRC_304.gbw" end

* xyz 1 1
  Au          0.03570095547839     -2.18011026582280      0.16141818668560
  C           1.32818046430890      0.21274010762533      1.39614536460812
  C           0.15852249306660     -0.38555835425023      1.18173431675308
  C           0.26582561358559      2.17908976054168      1.99911569081036
  C           1.51224568578458      1.49417575276168      2.28822619728748
  H           1.57781850324260      1.19434625118129      3.33356969495676
  C          -1.11768479097054      0.24344459678078      1.63856239795150
  H          -1.75023205554753     -0.45435470261330      2.19053944362128
  H          -1.68425753665425      0.57196434324282      0.76280712423627
  C          -0.90302975416764      1.52065927397449      2.56288082608101
  P          -0.11038292757557     -4.18694493549993     -0.96641882805376
  C           1.07376957236240     -4.36145408558455     -2.32660874282559
  C           0.17860303495998     -5.63912999915781      0.07824580492984
  H           2.26483692139344     -0.12652765142937      0.96557077248767
  C          -1.72799677755774     -4.48427315436858     -1.72668887271761
  H          -1.94476477157246     -3.68942946356290     -2.44296391780173
  H          -1.73408995369027     -5.44848450401129     -2.24051170468287
  H          -2.49892974146241     -4.47957507708315     -0.95365062099196
  H           0.91236031698702     -3.56445487820161     -3.05498006275704
  H           0.94877552108118     -5.33112654219017     -2.81438727628277
  H           2.09003179517554     -4.27934339010478     -1.93636714598457
  H           1.17687420087432     -5.57878140009786      0.51600180855891
  H           0.09545904952947     -6.55383290082620     -0.51350257483652
  H          -0.55720549467597     -5.65938531964395      0.88455257363949
  H           2.41133610235622      2.02333316660340      1.98867910673377
  H          -1.81634969902688      2.10758607751399      2.54393055537888
  H          -0.68643533487877      1.16360646907257      3.56907001603818
  C           0.16297774555364      3.26334246035332      1.04136918033596
  C          -1.00921224765143      4.03114967834311      0.97076763176392
  C           1.23028648343637      3.55283552238476      0.17384050905682
  C          -1.11603475739894      5.06865098445788      0.06079916152158
  H          -1.83298929567978      3.84613644027186      1.64569166856426
  C           1.12453853762371      4.57089196156349     -0.75244469570386
  H           2.13615742341038      2.96267645006541      0.19838466033845
  C          -0.04784893384394      5.31002301864731     -0.78316914089854
  H          -2.00909207706850      5.67530116393072      0.00802148425313
  H           1.93315421411836      4.79124043217181     -1.43510012444170
  N          -0.16028431125823      6.41540312124349     -1.76510422439857
  O          -1.21241354447904      7.01990386924855     -1.81510014006996
  O           0.80624937083121      6.65051972246873     -2.46191110414529
*

